4-ヒドロキシベンズアミド

4-Hydroxybenzamide

HCID 65052CAS 619-57-8

部分構造検索類似構造を探す

基本情報

標準SMILES: NC(=O)c1ccc(O)cc1
InChIKey: QXSAKPUBHTZHKW-UHFFFAOYSA-N
分子式: C7H7NO2
平均分子量: 137.14 g/mol
単同位体質量: 137.04767846

概要

P-Hydroxybenzamide is a member of benzamides.

名称と識別子

優先名称: 4-Hydroxybenzamide
IUPAC: 4-hydroxybenzamide
現地名: 4-ヒドロキシベンズアミド
英語名: 4-Hydroxybenzamide
分子式: C7H7NO2
分子量: 137.14

名称と別名

4-Hydroxybenzamide619-57-8p-HydroxybenzamideBenzamide, 4-hydroxy-9OU5YD093JDTXSID10210931NSC-524134RefChem:99273DTXCID40133422210-602-74-Hydroxy-benzamideMFCD00007997

名称をさらに表示

4-ヒドロキシベンズアミドp-ヒドロキシベンズアミドBenzamide,p-hydroxy-Benzamide,4-hydroxy-4-Hydroxybenzamide>4-HYDROXYBENZAMIDE 98%Tetracaine Impurity 474-HYDROXYBENZAMIDE, 97+%4-Hydroxybenzamide, 98+%4-Hydroxy-benzoesaeure-amid

41911-58-44-hydroxybenzene carboxamideCHEMBL123617P-HYDROXYBENZOIC ACID AMIDEBDBM50106201SY016463H0200EN300-18541

データベース識別子

CAS: 619-57-8
PubChem CID: 65052
DTXSID: DTXSID10210931
ChEMBL: CHEMBL123617
ChEBI: CHEBI:220253
UNII: 9OU5YD093J
EC Number: 210-602-7
Nikkaji: J94.905A

物性

構造計算による物性

XLogP: 0.3
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 128

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

LogP0.33

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 161 · 161-162 °C (lit.)
沸点: 345.3 · 345.3±25.0 °C(Predicted)
比重(密度): 1.286 · 1.286±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 8.6 · 8.60±0.13(Predicted)
色: White to Light yellow to Dark green
BRN: 1906921 · 1906921
InChI: InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
InChIKey: QXSAKPUBHTZHKW-UHFFFAOYSA-N
SMILES: C(N)(=O)C1=CC=C(O)C=C1
CAS データベース: 619 · 619-57-8(CAS DataBase Reference)

化学的性質

化学的特性White to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 11.3% (6 of 53) of reports.

Warning

H315 (88.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.